Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM234495'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM234495 (US9353084, 43) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:22| Show InChI InChI=1S/C21H21F4N3O2/c1-19(23)11-21(24,25)20(2,28-18(19)26)15-10-13(6-9-16(15)22)27-17(29)12-4-7-14(30-3)8-5-12/h4-10H,11H2,1-3H3,(H2,26,28)(H,27,29)/t19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	91	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
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